F0598-0385
TL;DR: F0598-0385 (CAS 690252-91-6) is a chemical compound with molecular formula C22H19N5O4S and molecular weight 449.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-methyl-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
Also Known As: F0598-0385, 9-methyl-2-(4-(4-nitrophenyl)piperazine-1-carbonyl)-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-4-one, 10-methyl-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]-6-thia-1,8-diazatricyclo[7.4.0.0^{3,7}]trideca-3(7),4,8,10,12-pentaen-2-one, 10-methyl-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one, 9-METHYL-2-{[4-(4-NITROPHENYL)PIPERAZINO]CARBONYL}-4H-PYRIDO[1,2-A]THIENO[2,3-D]PYRIMIDIN-4-ONE
| Molecular Formula | C22H19N5O4S |
|---|---|
| Molecular Weight | 449.12 g/mol |
| LogP | 3.08822 |
| Topological Polar Surface Area | 101.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 449.11578 |
| Heavy Atoms | 32 |
| Complexity | 1418.307 |
Chemical Identifiers
| CAS Number | 690252-91-6 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(S3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
F0598-0385 (CAS 690252-91-6), with molecular formula C22H19N5O4S and molecular weight 449.12 g/mol. IUPAC: 10-methyl-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one.
Chemical Property Profile of F0598-0385
Property Insights of F0598-0385
The XLogP value of 3.08822 indicates that F0598-0385 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.06 Ų falls within the moderate polarity range, balancing permeability and solubility for F0598-0385. Following Lipinski's Rule of Five, F0598-0385 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0598-0385?
The CAS number of F0598-0385 is 690252-91-6.
What is the molecular formula of F0598-0385?
The molecular formula of F0598-0385 is C22H19N5O4S.
What is the molecular weight of F0598-0385?
The molecular weight of F0598-0385 is 449.12 g/mol.
Where can I buy F0598-0385?
You can request a quote for F0598-0385 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0598-0385?
Yes, KEHONG BIO provides custom synthesis services for F0598-0385 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.